(cyclobutylmethyl)(methyl)amine hydrochloride

• ChemBase ID: 55717
• Molecular Formular: C6H14ClN
• Molecular Mass: 135.63506
• Monoisotopic Mass: 135.08147713
• SMILES: N(CC1CCC1)C.Cl
• Canonical SMILES: CNCC1CCC1.Cl
• InChI: InChI=1S/C6H13N.ClH/c1-7-5-6-3-2-4-6;/h6-7H,2-5H2,1H3;1H
• InChIKey: ZMZJOIIGRUXAEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyclobutylmethyl)(methyl)amine hydrochloride
• IUPAC Traditional name: (cyclobutylmethyl)(methyl)amine hydrochloride
• Synonyms: (cyclobutylmethyl)(methyl)amine hydrochloride; (Cyclobutylmethyl)methylamine hydrochloride

Database IDs

• MDL Number: MFCD16817426
• PubChem SID: 162060480
• PubChem CID: 50988531

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.2039778
• LogD (pH = 7.4): -1.8952736
• Log P: 1.0322675
• Molar Refractivity: 31.2364 cm^3
• Polarizability: 12.598926 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.014

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%